CID 518685

Dimethyl pyrazine-2,5-dicarboxylate

Structural Information

Molecular Formula
C8H8N2O4
SMILES
COC(=O)C1=CN=C(C=N1)C(=O)OC
InChI
InChI=1S/C8H8N2O4/c1-13-7(11)5-3-10-6(4-9-5)8(12)14-2/h3-4H,1-2H3
InChIKey
DQGTTXDDKDMEHB-UHFFFAOYSA-N
Compound name
dimethyl pyrazine-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

75
Patents

196.0484 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05568 137.6
[M+Na]+ 219.03762 146.4
[M-H]- 195.04112 139.1
[M+NH4]+ 214.08222 154.3
[M+K]+ 235.01156 146.4
[M+H-H2O]+ 179.04566 130.2
[M+HCOO]- 241.04660 159.3
[M+CH3COO]- 255.06225 181.7
[M+Na-2H]- 217.02307 143.5
[M]+ 196.04785 141.6
[M]- 196.04895 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe